Leveraging molecular simulations and machine learning to assess CO2, O2, and N2 adsorption and separation performances of diverse MOF databases

We integrated molecular simulations and machine learning (ML) to comprehensively explore the gas adsorption and separation performances of both synthesized and hypothetical metal-organic frameworks (MOFs) available in five different MOF databases. Following the generation of CO2, O2, and N2 adsorpti...

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Номзүйн дэлгэрэнгүй

Үндсэн зохиолчид:	Hasan Can Gulbalkan, Seda Keskin
Формат:	Artigo
Хэл сонгох:	Inglês
Хэвлэсэн:	Elsevier 2026-03-01
Цуврал:	Chemical Engineering Journal Advances
Нөхцлүүд:	Metal-organic framework (MOF) Gas adsorption Molecular simulations Machine learning (ML)
Онлайн хандалт:	http://www.sciencedirect.com/science/article/pii/S2666821125002789
Шошгууд:	Шошго нэмэх Шошго байхгүй, Энэхүү баримтыг шошголох эхний хүн болох!